SCHEMBL368619

SCHEMBL368619

CC(C)OC(=O)N1CCC(n2ccc(C#N)c2N)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.43
PGR P06401 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
KDM1A O60341 1/20 0.37
MGLL Q99685 2/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10171853 0.84 KDM1A (0.36) GPR119KDM1AMGLL
SCHEMBL10140492 0.84 GPR119 (0.41) GPR119PGRCYP2D6CYP2C9CHRM2
SCHEMBL356284 0.81 GPR119 (0.41) GPR119PGRCYP2D6CYP2C9CHRM2
SCHEMBL357663 0.78 GPR119 (0.39) GPR119PGRCYP2D6CYP2C9MGLL
SCHEMBL357664 0.78 GPR119 (0.39) GPR119PGRCYP2D6CYP2C9MGLL
SCHEMBL12961781 0.71 GPR119 (0.46) GPR119MGLL
SCHEMBL4540767 0.70 GPR119 (0.41) GPR119CHRM2CHRM1ACACBACACA
SCHEMBL458221 0.69 GPR119 (0.41) GPR119MGLL
SCHEMBL10139692 0.68 GPR119 (0.35) GPR119PGRCYP2D6CYP2C9CHRM2
SCHEMBL10171868 0.68 KDM1A (0.33) KDM1AMGLL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 US disclosed
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 US disclosed
EP-2390254-A1 NOVEL PYRROLOÝ2,3-d¨PYRIMIDINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2011-11-30 EP disclosed
US-20110257678-A1 VASCULAR EMBOLIC FILTER EXCHANGE DEVICES AND METHODS OF USE THEREOF INCEPT LLC (US) 2011-10-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND GPR119, GPR139, HCAR1 GPR119 1/4885PGR 339/4885CYP2D6 1551/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.